1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene

C27H28O — CID 67677589

IUPAC1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
SMILESC/C=C\c1ccc(-c2ccc(-c3ccc(COC/C=C/CC)cc3)cc2)cc1
InChIInChI=1S/C27H28O/c1-3-5-6-20-28-21-23-10-14-25(15-11-23)27-18-16-26(17-19-27)24-12-8-22(7-4-2)9-13-24/h4-19H,3,20-21H2,1-2H3/b6-5+,7-4-
InChIKeyVAIFUFITWQHHCU-NRVNPBJCSA-N
MW368.52 g/mol
LogP7.54
Rot. Bonds8

About 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene

1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene (PubChem CID 67677589) has the molecular formula C27H28O and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
PubChem CID67677589
Molecular FormulaC27H28O
Molecular Weight368.52 g/mol
Exact Mass368.21
IUPAC Name1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene
SMILESC/C=C\c1ccc(-c2ccc(-c3ccc(COC/C=C/CC)cc3)cc2)cc1
InChIInChI=1S/C27H28O/c1-3-5-6-20-28-21-23-10-14-25(15-11-23)27-18-16-26(17-19-27)24-12-8-22(7-4-2)9-13-24/h4-19H,3,20-21H2,1-2H3/b6-5+,7-4-
InChIKeyVAIFUFITWQHHCU-NRVNPBJCSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
The IUPAC name of 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene (CID 67677589) is 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene is C/C=C\c1ccc(-c2ccc(-c3ccc(COC/C=C/CC)cc3)cc2)cc1.
What is the InChIKey of 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
The InChIKey is VAIFUFITWQHHCU-NRVNPBJCSA-N. The full InChI is InChI=1S/C27H28O/c1-3-5-6-20-28-21-23-10-14-25(15-11-23)27-18-16-26(17-19-27)24-12-8-22(7-4-2)9-13-24/h4-19H,3,20-21H2,1-2H3/b6-5+,7-4-.
What are the key properties of 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene?
1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene has a molecular weight of 368.52 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-pent-2-enoxy]methyl]-4-[4-[4-[(Z)-prop-1-enyl]phenyl]phenyl]benzene is sourced from PubChem (CID 67677589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).